SCHEMBL2833102

SCHEMBL2833102

Cc1ccc(C(NC(=O)OC(C)(C)C)C(O)c2ccc(-c3cccnc3)cc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 2/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDR P35968 1/20 0.39
NR4A2 P43354 1/20 0.38
PORCN Q9H237 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
SLC2A1 P11166 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2833210 0.89 AKR1C3 (0.41) KDM4DRAB9AMKNK1MKNK2PORCN
SCHEMBL2838698 0.86 CYP3A4 (0.36) CYP11B2S1PR3ALDH1A1
SCHEMBL2838260 0.81 TRPV1 (0.41) KDM4DKDR
SCHEMBL2833402 0.81 MEN1 (0.36) MEN1KMT2AS1PR3KDM4EALDH1A1
SCHEMBL2834950 0.78 S1PR3 (0.40) CYP11B2S1PR3LMNAMAPTHPGD
SCHEMBL2833981 0.77 CYP3A4 (0.40) MEN1KMT2ASMN1; SMN2S1PR3ALDH1A1
SCHEMBL7817137 0.75 MKNK1 (0.45) MEN1KMT2ANPC1RAB9AMKNK1
SCHEMBL2833940 0.75 MKNK1 (0.45) MEN1KMT2ANPC1RAB9AMKNK1
SCHEMBL2832215 0.74 CYP3A4 (0.46) MEN1KMT2AS1PR3ALDH1A1
SCHEMBL30759993 0.73 DHPS (0.47) KDM4DRAB9AMKNK1MKNK2GPR119

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 KDM4D 2305/4885MEN1 2588/4885KMT2A 397/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 KDM4D 2305/4885MEN1 2588/4885KMT2A 397/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.